| 书目名称 | Quantum Mechanics in Drug Discovery | | 编辑 | Alexander Heifetz | | 视频video | | | 概述 | Includes cutting-edge techniques.Provides step-by-step detail for reproducible results.Contains key implementation advice from the experts | | 丛书名称 | Methods in Molecular Biology | | 图书封面 |  | | 描述 | This volume looks at applications of quantum mechanical (QM) methods in drug discovery. The chapters in this book describe how QM approaches can be applied to address key drug discovery issues, such as characterizing protein-water-ligand and protein-protein interactions, providing estimates of binding affinities, determining ligand energies and bioactive conformations, refinement of molecular geometries, scoring docked protein–ligand poses, describing molecular similarity, structure–activity-relationship (SAR) analysis, and ADMET prediction. Written in the highly successful .Methods in Molecular Biology .series format, chapters include introductions to their respective topics, lists of the necessary software and tools, step-by-step, readily reproducible modeling protocols, and tips on troubleshooting and avoiding known pitfalls. .Cutting-edge and unique, .Quantum Mechanics in Drug Discovery. .is a valuable resourcefor structural and molecular biologists, computational and medicinal chemists, pharmacologists, and drug designers.. | | 出版日期 | Book 2020 | | 关键词 | QM applications; Computer-aided drug discovery; Fragment Molecular Orbital Method; Computational techni | | 版次 | 1 | | doi | https://doi.org/10.1007/978-1-0716-0282-9 | | isbn_softcover | 978-1-0716-0284-3 | | isbn_ebook | 978-1-0716-0282-9Series ISSN 1064-3745 Series E-ISSN 1940-6029 | | issn_series | 1064-3745 | | copyright | Springer Science+Business Media, LLC, part of Springer Nature 2020 |
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发表于 2025-3-21 20:02:52
